Chemical Properties of Benzeneacetic acid, .alpha.-bromo-, methyl ester

InChI

InChI=1S/C9H9BrO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3

InChI Key

NHFBYYMNJUMVOT-UHFFFAOYSA-N

Formula

C9H9BrO2

SMILES

COC(=O)C(Br)c1ccccc1

Molecular Weight¹

229.07

Other Names

• 2-bromo-2-phenylacetic acid methyl ester
• Acetic acid, bromophenyl-, methyl ester
• Methyl bromophenylacetate
• Methyl «alpha»-bromo-«alpha»-phenylacetate
• Methyl «alpha»-bromobenzeneacetate
• Methyl «alpha»-bromophenylacetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.16; 382.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.28000e+00
Coefficient B			7.69220e-01
Coefficient C			-4.77000e-04
Coefficient D			9.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.16	J/mol×K	273.00	Calculated Property
Cp,gas	209.49	J/mol×K	353.78	Calculated Property
Cp,gas	244.95	J/mol×K	434.56	Calculated Property
Cp,gas	275.85	J/mol×K	515.33	Calculated Property
Cp,gas	302.50	J/mol×K	596.11	Calculated Property
Cp,gas	325.21	J/mol×K	676.89	Calculated Property
Cp,gas	344.29	J/mol×K	757.67	Calculated Property
Cp,gas	360.05	J/mol×K	838.44	Calculated Property
Cp,gas	372.79	J/mol×K	919.22	Calculated Property
Cp,gas	382.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034991; 0.0002123]	Pa×s	[304.74; 552.68]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19020e+01
Coefficient B			1.90362e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			304.74
Temperature range, max.			552.68
η	0.0034991	Pa×s	304.74	Calculated Property
η	0.0020847	Pa×s	332.29	Calculated Property
η	0.0013445	Pa×s	359.84	Calculated Property
η	0.0009229	Pa×s	387.39	Calculated Property
η	0.0006660	Pa×s	414.94	Calculated Property
η	0.0005005	Pa×s	442.49	Calculated Property
η	0.0003890	Pa×s	470.03	Calculated Property
η	0.0003108	Pa×s	497.58	Calculated Property
η	0.0002543	Pa×s	525.13	Calculated Property
η	0.0002123	Pa×s	552.68	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, .alpha.-bromo-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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